Related papers: Transient spectroscopy from time-dependent electro…

A stochastic approach to time-dependent density functional theory (TDDFT) is developed for computing the absorption cross section and the random phase approximation (RPA) correlation energy. The core idea of the approach involves…

We report a detailed investigation on the properties of correlation spectra for cold atoms under the condition of Electromagnetically Induced Transparency (EIT). We describe the transition in the system from correlation to anti-correlation…

Ab initio computation of two-dimensional electronic spectra is an expanding field, whose goal is improving upon simple, few-dimensional models often employed to explain experiments. Here, we propose an accurate and computationally…

Graph-based linear scaling electronic structure theory for quantum-mechanical molecular dynamics simulations is adapted to the most recent shadow potential formulations of extended Lagrangian Born-Oppenheimer molecular dynamics, including…

It is commonly believed that electromagnetic spectra of atoms and molecules can be fully described by interactions of electric and magnetic multipoles. However, it has recently become clear that interactions between light and matter also…

We propose and discuss a numerical method to model electromagnetic emission from the oscillating relativistic charged particles and its coherent amplification. The developed technique is well suited for free electron laser simulations, but…

Studying time-dependent behavior in lasers is analytically difficult due to the saturating non-linearity inherent in the Maxwell-Bloch equations and numerically demanding because of the computational resources needed to discretize both time…

Given the wide range of applications of time-domain spectroscopy, and particularly THz time-domain spectroscopy, the modelling of a probe pulse propagating through a multilayered structure is often required. Due to the fact that the…

Due to the lack of the translational symmetry, calculating the energy spectrum of an incommensurate system has always been a theoretical challenge. Here, we propose a natural approach to generalize the energy band theory to the…

Pseudospectral numerical schemes for solving the Dirac equation in general static curved space are derived using a pseudodifferential representation of the Dirac equation along with a simple Fourier-basis technique. Owing to the presence of…

We report on the measurement of terahertz electric-field vector waveforms by using a system that contains no mechanical moving parts. It is known that two phase-locked femtosecond lasers with different repetition rates can be used to…

X-ray interaction with matter is an energy-dependent process that is contingent on the atomic structure of the constituent material elements. The most advanced models to capture this relationship currently rely on Monte Carlo (MC)…

We introduce an approach for performing spectrally resolved electron microscopy without the need for an electron spectrometer. The method involves an electron beam prepared as a coherent superposition of multiple paths, one of which passes…

Electromagnetic dipole absorption cross-sections of transitional nuclei with large-amplitude shape fluctuations are calculated in a microscopic way by introducing the concept of Instantaneous Shape Sampling. The concept bases on the slow…

We develop a classical microscopic model of a dielectric. The model features nonlinear interaction terms between polarizable dipoles and lattice vibrations. The lattice vibrations are found to act as a pseudo-reservoir, giving broadband…

Real-time time-dependent density functional theory, in conjunction with the Ehrenfest molecular dynamics scheme, is becoming a popular methodology to investigate ultrafast phenomena on the nanoscale. Thanks to recent developments, it is…

The theory of a response of a two-energy-level system, irradiated by symmetrical light pulses, has been developed.(Suchlike electronic system approximates under the definite conditions a single ideal quantum well (QW) in a strong magnetic…

We investigate the possibility of using a transcorrelated Hamiltonian to describe electron correlation. Amethod to obtain transcorrelatedwavefunctionswas developed based on the mathematical framework of the bi-variational principle. This…

The electronic band structure, describing the periodic dependence of electronic quantum states on lattice momentum in reciprocal space, is a fundamental concept in solid-state physics. However, it's only well-defined for static nuclei. To…

An improved formulation of the one-step model of photoemission from crystal surfaces is proposed which overcomes different limitations of the original theory. Considering the results of an electronic-structure calculation, the electronic…